SCHEMBL12335079

SCHEMBL12335079

O=C(COc1ccccc1-c1ccccc1)NCCNC(=O)NCc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.60
▸ MAPK1 P28482 1/20 0.59
▸ HTT P42858 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ PLA2G1B P04054 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ATG4B Q9Y4P1 1/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ FES P07332 1/20 0.54
▸ RET P07949 1/20 0.54
▸ MARK3 P27448 1/20 0.54
▸ TYK2 P29597 1/20 0.54
▸ FLT4 P35916 1/20 0.54
▸ SYK P43405 1/20 0.54
▸ CLK2 P49760 1/20 0.54
▸ CLK4 Q9HAZ1 1/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ NAMPT P43490 3/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12336172 0.96 NOTUM (0.58) NOTUMMAPK1HTTLMNAALDH1A1
SCHEMBL12334916 0.96 FES (0.61) NOTUMMAPK1HTTLMNAALDH1A1
SCHEMBL12336100 0.95 FES (0.63) NOTUMMAPK1HTTLMNAALDH1A1
SCHEMBL14324785 0.88 NAMPT (0.62) NOTUMMAPK1HTTLMNAALDH1A1
SCHEMBL12335391 0.86 NAMPT (0.61) NOTUMMAPK1L3MBTL1KMT2AMEN1
SCHEMBL12334895 0.85 FES (0.67) NOTUMHTTLMNAALDH1A1KMT2A
SCHEMBL12335052 0.85 FES (0.67) NOTUMHTTLMNAALDH1A1KMT2A
SCHEMBL12335083 0.85 FES (0.67) NOTUMHTTLMNAALDH1A1KMT2A
SCHEMBL12335401 0.84 LMNA (0.58) MAPK1HTTLMNAALDH1A1KMT2A
SCHEMBL12335447 0.78 NAMPT (0.62) KMT2AMEN1NAMPTCYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 — — US disclosed
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 — — US disclosed
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2013-11-28 — — US disclosed
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 — — US disclosed
WO-2011109441-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2011-09-09 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 NOTUM 2022/4885MAPK1 2748/4885HTT 2845/4885
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 NOTUM 2022/4885MAPK1 2748/4885HTT 2845/4885
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 NOTUM 2022/4885MAPK1 2748/4885HTT 2845/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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